9-(4-bromo-3-fluorophenyl)-6,9-diazaspiro[4.5]decane

C14H18BrFN2 — CID 65429942

IUPAC9-(4-bromo-3-fluorophenyl)-6,9-diazaspiro[4.5]decane
SMILESFc1cc(N2CCNC3(CCCC3)C2)ccc1Br
InChIInChI=1S/C14H18BrFN2/c15-12-4-3-11(9-13(12)16)18-8-7-17-14(10-18)5-1-2-6-14/h3-4,9,17H,1-2,5-8,10H2
InChIKeyZFJDXKDKTJLHFU-UHFFFAOYSA-N
MW313.21 g/mol
LogP3.31
Rot. Bonds1

About 9-(4-bromo-3-fluorophenyl)-6,9-diazaspiro[4.5]decane

9-(4-bromo-3-fluorophenyl)-6,9-diazaspiro[4.5]decane (PubChem CID 65429942) has the molecular formula C14H18BrFN2 and a molecular weight of 313.21 g/mol. Its IUPAC name is 9-(4-bromo-3-fluorophenyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(4-bromo-3-fluorophenyl)-6,9-diazaspiro[4.5]decane
PubChem CID65429942
Molecular FormulaC14H18BrFN2
Molecular Weight313.21 g/mol
Exact Mass312.06
IUPAC Name9-(4-bromo-3-fluorophenyl)-6,9-diazaspiro[4.5]decane
SMILESFc1cc(N2CCNC3(CCCC3)C2)ccc1Br
InChIInChI=1S/C14H18BrFN2/c15-12-4-3-11(9-13(12)16)18-8-7-17-14(10-18)5-1-2-6-14/h3-4,9,17H,1-2,5-8,10H2
InChIKeyZFJDXKDKTJLHFU-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromo-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane
CID 65431049
10-(3-bromo-4-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64950005
9-(2,3-dihydro-1H-inden-5-yl)-6,9-diazaspiro[4.5]decane
CID 64926161
9-naphthalen-2-yl-6,9-diazaspiro[4.5]decane
CID 64952940
11-(4-bromo-2,5-difluorophenyl)-7,11-diazaspiro[5.6]dodecane
CID 107608134
9-[4-methyl-3-(trifluoromethyl)phenyl]-6,9-diazaspiro[4.5]decane
CID 64954522
10-(4-fluoro-3-methoxyphenyl)-6,10-diazaspiro[4.6]undecane
CID 114840945
10-(5-bromo-4-fluoro-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 107594271
9-(2-bromophenyl)-6,9-diazaspiro[4.5]decane
CID 64925677
9-(2-chloro-4,6-difluorophenyl)-6,9-diazaspiro[4.5]decane
CID 83082638
11-(4-iodophenyl)-7,11-diazaspiro[5.6]dodecane
CID 64943004
10-(3-chlorophenyl)-6,10-diazaspiro[4.6]undecane
CID 64944935

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromo-3-fluorophenyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(4-bromo-3-fluorophenyl)-6,9-diazaspiro[4.5]decane (CID 65429942) is 9-(4-bromo-3-fluorophenyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(4-bromo-3-fluorophenyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(4-bromo-3-fluorophenyl)-6,9-diazaspiro[4.5]decane is Fc1cc(N2CCNC3(CCCC3)C2)ccc1Br.
What is the InChIKey of 9-(4-bromo-3-fluorophenyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is ZFJDXKDKTJLHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2/c15-12-4-3-11(9-13(12)16)18-8-7-17-14(10-18)5-1-2-6-14/h3-4,9,17H,1-2,5-8,10H2.
What are the key properties of 9-(4-bromo-3-fluorophenyl)-6,9-diazaspiro[4.5]decane?
9-(4-bromo-3-fluorophenyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 313.21 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromo-3-fluorophenyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 65429942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).